BioLiP

PDB

BioLiP

PDB CCD ID:

5JE

Number of entries in BioLiP:

Chemical formula:

C10 H8 N4

InChI:

InChI=1S/C10H8N4/c1-2-4-9-8(3-1)12-10(13-9)14-6-5-11-7-14/h1-7H,(H,12,13)

InChIKey:

RBPYXJCCKORRRN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	[nH]1c2ccccc2nc1n3ccnc3
OpenEye OEToolkits 1.7.6	c1ccc2c(c1)[nH]c(n2)n3ccnc3

Name:

2-IMIDAZOL-1-YL-1H-BENZIMIDAZOLE

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).